methyl 2-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(1,5-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(1,5-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C)C(C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O2S2/c1-13(18-12-22-25(3)14(18)2)23-21(28)24-19-17(20(26)27-4)11-16(29-19)10-15-8-6-5-7-9-15/h5-9,11-13H,10H2,1-4H3,(H2,23,24,28)